4.2 software package (AUTODOCK GmbH)
90
Structured Review
AUTODOCK GmbH
4.2 software package
4.2 Software Package, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/4%2E2+software+package/4+2+software+package/pm40649291-313-7-7
Average 90 stars, based on 1 article reviews
4.2 Software Package, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/4%2E2+software+package/4+2+software+package/pm40649291-313-7-7
Average 90 stars, based on 1 article reviews
4.2 software package - by Bioz Stars,
2026-09
90/100 stars
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Software:Article Title: Dual-Template Imprinted Polyaniline Designed by Response Surface Methodology. Article Snippet: In this work, we investigated the possibility of using response surface methodology to optimize the conditions for the synthesis of molecularly imprinted polyaniline specific to quercetin and horseradish peroxidase simultaneously.. The work also discusses the role of horseradish peroxidase during aniline polymerization.. As far as we know, a methodology for the synthesis of dual-template imprinted polyaniline selective to low and high molecular weight compounds simultaneously has not been described previously. Article Title: Fluorine-Substituted Rhenium(I) Metallocycle: A New Class of Potent Anticancer Agent. Article Snippet: Fluorine and nonfluorine substituted rhenium(I) metallocycles, fac-[{Re(CO)3}2(μ-SO4)(L1)2] (C1) and fac-[{Re(CO)3}2(μ-SO4)(L2)2] (C2), respectively, were synthesized using Re2(CO)10, sodium bisulfite, fluorobenzimidazolyl/benzimidazolyl-based ditopic nitrogen-donor ligands (L1/L2), and toluene–acetone via coordination-driven one-pot solvothermal approach.. The metallocycles were characterized using elemental analysis, ESI-TOF-MS, ATR-IR, NMR, and PXRD methods.. The molecular structures of C1·9(DMSO), C1·(toluene)(acetone), and C2·(toluene) were determined using SCXRD analysis. Article Title: Targeting apoptotic pathways in cancer: design, synthesis, and molecular docking studies of 1,3,5-trisubstituted-1 H -pyrazole derivatives with Bcl-2 inhibition and DNA damage potential Article Snippet: For the docking studies, we utilized the Article Title: Engineered β-galactosidase catalyzes lactose to prebiotics in situ in raw milk. Article Snippet: The docking procedures were carried out using the Article Title: Targeting apoptotic pathways in cancer: design, synthesis, and molecular docking studies of 1,3,5-trisubstituted-1 H -pyrazole derivatives with Bcl-2 inhibition and DNA damage potential Article Snippet: This meticulous preparation of the Bcl-2 protein was crucial for achieving accurate and reliable docking simulations, which were conducted using the Article Title: Molecular Recognition and Modification Strategies of Umami Dipeptides with T1R1/T1R3 Receptors. Article Snippet: Molecular docking experiments were performed using the Article Title: Development of novel amino-benzenesulfonamide derivatives and their analogues as carbonic anhydrase inhibitors: Design, synthesis, anticancer activity assessment, and pharmacokinetic studies using UPLC-MS/MS. Article Snippet: The present study outlines the design and synthesis of dual-tail analogues of SLC-0111 as carbonic anhydrase inhibitors (CAIs) targeting tumor isoforms IX and XII 4a-h and 5a-h, along with pharmacokinetic studies.. The synthesized compounds were evaluated for their inhibitory activity against four carbonic anhydrase isoforms (hCA I, II, IX, and XII), revealing potent activity, particularly against hCA IX and XII.. Notably, compounds 4b, 5a, and 5b demonstrated strong inhibition of hCA IX with Ki values of 20.4, 12.9, and 18.2 nM, respectively, compared to acetazolamide (AAZ), which has a Ki of 25 nM. Article Title: Solidago canadensis L. Herb Extract, Its Amino Acids Preparations and 3D-Printed Dosage Forms: Phytochemical, Technological, Molecular Docking and Pharmacological Research Article Snippet: The Sampling:Article Title: Dual-Template Imprinted Polyaniline Designed by Response Surface Methodology. Article Snippet: In this work, we investigated the possibility of using response surface methodology to optimize the conditions for the synthesis of molecularly imprinted polyaniline specific to quercetin and horseradish peroxidase simultaneously.. The work also discusses the role of horseradish peroxidase during aniline polymerization.. As far as we know, a methodology for the synthesis of dual-template imprinted polyaniline selective to low and high molecular weight compounds simultaneously has not been described previously. Article Title: Fluorine-Substituted Rhenium(I) Metallocycle: A New Class of Potent Anticancer Agent. Article Snippet: Fluorine and nonfluorine substituted rhenium(I) metallocycles, fac-[{Re(CO)3}2(μ-SO4)(L1)2] (C1) and fac-[{Re(CO)3}2(μ-SO4)(L2)2] (C2), respectively, were synthesized using Re2(CO)10, sodium bisulfite, fluorobenzimidazolyl/benzimidazolyl-based ditopic nitrogen-donor ligands (L1/L2), and toluene–acetone via coordination-driven one-pot solvothermal approach.. The metallocycles were characterized using elemental analysis, ESI-TOF-MS, ATR-IR, NMR, and PXRD methods.. The molecular structures of C1·9(DMSO), C1·(toluene)(acetone), and C2·(toluene) were determined using SCXRD analysis. Article Title: Targeting apoptotic pathways in cancer: design, synthesis, and molecular docking studies of 1,3,5-trisubstituted-1 H -pyrazole derivatives with Bcl-2 inhibition and DNA damage potential Article Snippet: For the docking studies, we utilized the Article Title: Engineered β-galactosidase catalyzes lactose to prebiotics in situ in raw milk. Article Snippet: The docking procedures were carried out using the Article Title: Targeting apoptotic pathways in cancer: design, synthesis, and molecular docking studies of 1,3,5-trisubstituted-1 H -pyrazole derivatives with Bcl-2 inhibition and DNA damage potential Article Snippet: This meticulous preparation of the Bcl-2 protein was crucial for achieving accurate and reliable docking simulations, which were conducted using the Article Title: Molecular Recognition and Modification Strategies of Umami Dipeptides with T1R1/T1R3 Receptors. Article Snippet: Molecular docking experiments were performed using the Article Title: Development of novel amino-benzenesulfonamide derivatives and their analogues as carbonic anhydrase inhibitors: Design, synthesis, anticancer activity assessment, and pharmacokinetic studies using UPLC-MS/MS. Article Snippet: The present study outlines the design and synthesis of dual-tail analogues of SLC-0111 as carbonic anhydrase inhibitors (CAIs) targeting tumor isoforms IX and XII 4a-h and 5a-h, along with pharmacokinetic studies.. The synthesized compounds were evaluated for their inhibitory activity against four carbonic anhydrase isoforms (hCA I, II, IX, and XII), revealing potent activity, particularly against hCA IX and XII.. Notably, compounds 4b, 5a, and 5b demonstrated strong inhibition of hCA IX with Ki values of 20.4, 12.9, and 18.2 nM, respectively, compared to acetazolamide (AAZ), which has a Ki of 25 nM. Article Title: Solidago canadensis L. Herb Extract, Its Amino Acids Preparations and 3D-Printed Dosage Forms: Phytochemical, Technological, Molecular Docking and Pharmacological Research Article Snippet: The Binding Assay:Article Title: Dual-Template Imprinted Polyaniline Designed by Response Surface Methodology. Article Snippet: In this work, we investigated the possibility of using response surface methodology to optimize the conditions for the synthesis of molecularly imprinted polyaniline specific to quercetin and horseradish peroxidase simultaneously.. The work also discusses the role of horseradish peroxidase during aniline polymerization.. As far as we know, a methodology for the synthesis of dual-template imprinted polyaniline selective to low and high molecular weight compounds simultaneously has not been described previously. Article Title: Fluorine-Substituted Rhenium(I) Metallocycle: A New Class of Potent Anticancer Agent. Article Snippet: Fluorine and nonfluorine substituted rhenium(I) metallocycles, fac-[{Re(CO)3}2(μ-SO4)(L1)2] (C1) and fac-[{Re(CO)3}2(μ-SO4)(L2)2] (C2), respectively, were synthesized using Re2(CO)10, sodium bisulfite, fluorobenzimidazolyl/benzimidazolyl-based ditopic nitrogen-donor ligands (L1/L2), and toluene–acetone via coordination-driven one-pot solvothermal approach.. The metallocycles were characterized using elemental analysis, ESI-TOF-MS, ATR-IR, NMR, and PXRD methods.. The molecular structures of C1·9(DMSO), C1·(toluene)(acetone), and C2·(toluene) were determined using SCXRD analysis. Article Title: Targeting apoptotic pathways in cancer: design, synthesis, and molecular docking studies of 1,3,5-trisubstituted-1 H -pyrazole derivatives with Bcl-2 inhibition and DNA damage potential Article Snippet: For the docking studies, we utilized the Article Title: Engineered β-galactosidase catalyzes lactose to prebiotics in situ in raw milk. Article Snippet: The docking procedures were carried out using the Article Title: Targeting apoptotic pathways in cancer: design, synthesis, and molecular docking studies of 1,3,5-trisubstituted-1 H -pyrazole derivatives with Bcl-2 inhibition and DNA damage potential Article Snippet: This meticulous preparation of the Bcl-2 protein was crucial for achieving accurate and reliable docking simulations, which were conducted using the Article Title: Molecular Recognition and Modification Strategies of Umami Dipeptides with T1R1/T1R3 Receptors. Article Snippet: Molecular docking experiments were performed using the Article Title: Development of novel amino-benzenesulfonamide derivatives and their analogues as carbonic anhydrase inhibitors: Design, synthesis, anticancer activity assessment, and pharmacokinetic studies using UPLC-MS/MS. Article Snippet: The present study outlines the design and synthesis of dual-tail analogues of SLC-0111 as carbonic anhydrase inhibitors (CAIs) targeting tumor isoforms IX and XII 4a-h and 5a-h, along with pharmacokinetic studies.. The synthesized compounds were evaluated for their inhibitory activity against four carbonic anhydrase isoforms (hCA I, II, IX, and XII), revealing potent activity, particularly against hCA IX and XII.. Notably, compounds 4b, 5a, and 5b demonstrated strong inhibition of hCA IX with Ki values of 20.4, 12.9, and 18.2 nM, respectively, compared to acetazolamide (AAZ), which has a Ki of 25 nM. Article Title: Solidago canadensis L. Herb Extract, Its Amino Acids Preparations and 3D-Printed Dosage Forms: Phytochemical, Technological, Molecular Docking and Pharmacological Research Article Snippet: The Comparison:Article Title: Dual-Template Imprinted Polyaniline Designed by Response Surface Methodology. Article Snippet: In this work, we investigated the possibility of using response surface methodology to optimize the conditions for the synthesis of molecularly imprinted polyaniline specific to quercetin and horseradish peroxidase simultaneously.. The work also discusses the role of horseradish peroxidase during aniline polymerization.. As far as we know, a methodology for the synthesis of dual-template imprinted polyaniline selective to low and high molecular weight compounds simultaneously has not been described previously. Article Title: Fluorine-Substituted Rhenium(I) Metallocycle: A New Class of Potent Anticancer Agent. Article Snippet: Fluorine and nonfluorine substituted rhenium(I) metallocycles, fac-[{Re(CO)3}2(μ-SO4)(L1)2] (C1) and fac-[{Re(CO)3}2(μ-SO4)(L2)2] (C2), respectively, were synthesized using Re2(CO)10, sodium bisulfite, fluorobenzimidazolyl/benzimidazolyl-based ditopic nitrogen-donor ligands (L1/L2), and toluene–acetone via coordination-driven one-pot solvothermal approach.. The metallocycles were characterized using elemental analysis, ESI-TOF-MS, ATR-IR, NMR, and PXRD methods.. The molecular structures of C1·9(DMSO), C1·(toluene)(acetone), and C2·(toluene) were determined using SCXRD analysis. Article Title: Targeting apoptotic pathways in cancer: design, synthesis, and molecular docking studies of 1,3,5-trisubstituted-1 H -pyrazole derivatives with Bcl-2 inhibition and DNA damage potential Article Snippet: For the docking studies, we utilized the Article Title: Engineered β-galactosidase catalyzes lactose to prebiotics in situ in raw milk. Article Snippet: The docking procedures were carried out using the Article Title: Targeting apoptotic pathways in cancer: design, synthesis, and molecular docking studies of 1,3,5-trisubstituted-1 H -pyrazole derivatives with Bcl-2 inhibition and DNA damage potential Article Snippet: This meticulous preparation of the Bcl-2 protein was crucial for achieving accurate and reliable docking simulations, which were conducted using the Article Title: Molecular Recognition and Modification Strategies of Umami Dipeptides with T1R1/T1R3 Receptors. Article Snippet: Molecular docking experiments were performed using the Article Title: Development of novel amino-benzenesulfonamide derivatives and their analogues as carbonic anhydrase inhibitors: Design, synthesis, anticancer activity assessment, and pharmacokinetic studies using UPLC-MS/MS. Article Snippet: The present study outlines the design and synthesis of dual-tail analogues of SLC-0111 as carbonic anhydrase inhibitors (CAIs) targeting tumor isoforms IX and XII 4a-h and 5a-h, along with pharmacokinetic studies.. The synthesized compounds were evaluated for their inhibitory activity against four carbonic anhydrase isoforms (hCA I, II, IX, and XII), revealing potent activity, particularly against hCA IX and XII.. Notably, compounds 4b, 5a, and 5b demonstrated strong inhibition of hCA IX with Ki values of 20.4, 12.9, and 18.2 nM, respectively, compared to acetazolamide (AAZ), which has a Ki of 25 nM. Article Title: Solidago canadensis L. Herb Extract, Its Amino Acids Preparations and 3D-Printed Dosage Forms: Phytochemical, Technological, Molecular Docking and Pharmacological Research Article Snippet: The |